Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Biochemical simulations

Investigate the Binding of Catechins to Trypsin Using Docking and Molecular Dynamics Simulation

Fengchao Cui, Kecheng Yang, Yunqi Li

Molecular Dynamics Simulations of the Human Glucose Transporter GLUT1

Min-Sun Park

A Complete Pathway Model for Lipid A Biosynthesis in Escherichia coli

Akintunde Emiola, John George, Steven S. Andrews

Contribution to the Prediction of the Fold Code: Application to Immunoglobulin and Flavodoxin Cases

Mateusz Banach, Nicolas Prudhomme, [ ... ], Irena Roterman

DnaK as Antibiotic Target: Hot Spot Residues Analysis for Differential Inhibition of the Bacterial Protein in Comparison with the Human HSP70

Federica Chiappori, Marco Fumian, Luciano Milanesi, Ivan Merelli

Bistability: Requirements on Cell-Volume, Protein Diffusion, and Thermodynamics

Robert G. Endres

Molecular Dynamics Simulation Reveals Insights into the Mechanism of Unfolding by the A130T/V Mutations within the MID1 Zinc-Binding Bbox1 Domain

Yunjie Zhao, Chen Zeng, Michael A. Massiah

A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations

Brian J. Bennion, Sebnem G. Essiz, [ ... ], Felice C. Lightstone

Dual Mechanism of Ion Permeation through VDAC Revealed with Inorganic Phosphate Ions and Phosphate Metabolites

Eva-Maria Krammer, Giang Thi Vu, Fabrice Homblé, Martine Prévost

Cullin3 - BTB Interface: A Novel Target for Stapled Peptides

Ivan de Paola, Luciano Pirone, [ ... ], Laura Zaccaro

Structural and Functional Roles of Glycosylation in Fungal Laccase from Lentinus sp.

Manuel Maestre-Reyna, Wei-Chun Liu, [ ... ], Lie-Fen Shyur

Modeling Transmembrane Domain Dimers/Trimers of Plexin Receptors: Implications for Mechanisms of Signal Transmission across the Membrane

Liqun Zhang, Anton Polyansky, Matthias Buck

Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism

Balasubramanian Chandramouli, Danilo Di Maio, [ ... ], Giuseppe Brancato

Advertisement

Create a weekly email alert for: Biochemical simulations

You can change these options by clicking profile then "Alerts and Notifications"